USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 386 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 LYS NZ :NH3+ -110:sc= 0 (180deg=-1.5!) USER MOD Set 1.2: A 57 LYS NZ :NH3+ -158:sc= 0.476 (180deg=0.289) USER MOD Set 2.1: A 51 LYS NZ :NH3+ 146:sc= -0.48 (180deg=-0.0177) USER MOD Set 2.2: A 55 GLN : amide:sc= -0.222 X(o=-0.7,f=-1) USER MOD Set 3.1: A 46 ASN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Set 3.2: A 49 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.709 K(o=-0.71,f=-3.6) USER MOD Single : A 19 GLN : amide:sc= -0.141 K(o=-0.14,f=-1.3!) USER MOD Single : A 26 GLN : amide:sc= -0.0598 X(o=-0.06,f=-0.06) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.165 USER MOD Single : A 34 GLN : amide:sc= -0.0664 X(o=-0.066,f=-0.066) USER MOD Single : A 37 GLN : amide:sc=-0.000888 X(o=-0.00089,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.0408 K(o=-0.041,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 182 N PHE A 13 8.144 0.434 -7.008 1.00 0.00 N ATOM 183 CA PHE A 13 8.204 1.366 -5.917 1.00 0.00 C ATOM 184 C PHE A 13 9.563 1.989 -5.874 1.00 0.00 C ATOM 185 O PHE A 13 10.544 1.436 -6.370 1.00 0.00 O ATOM 186 CB PHE A 13 7.946 0.759 -4.504 1.00 0.00 C ATOM 187 CG PHE A 13 6.683 -0.072 -4.424 1.00 0.00 C ATOM 188 CD1 PHE A 13 6.595 -1.347 -5.021 1.00 0.00 C ATOM 189 CD2 PHE A 13 5.575 0.402 -3.699 1.00 0.00 C ATOM 190 CE1 PHE A 13 5.410 -2.092 -4.955 1.00 0.00 C ATOM 191 CE2 PHE A 13 4.397 -0.351 -3.615 1.00 0.00 C ATOM 192 CZ PHE A 13 4.306 -1.587 -4.259 1.00 0.00 C ATOM 0 HA PHE A 13 7.402 2.077 -6.117 1.00 0.00 H new ATOM 0 HB2 PHE A 13 8.797 0.139 -4.223 1.00 0.00 H new ATOM 0 HB3 PHE A 13 7.886 1.568 -3.776 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.452 -1.754 -5.536 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.633 1.358 -3.201 1.00 0.00 H new ATOM 0 HE1 PHE A 13 5.349 -3.055 -5.441 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.557 0.025 -3.051 1.00 0.00 H new ATOM 0 HZ PHE A 13 3.386 -2.151 -4.220 1.00 0.00 H new ATOM 202 N THR A 14 9.613 3.178 -5.247 1.00 0.00 N ATOM 203 CA THR A 14 10.825 3.885 -4.923 1.00 0.00 C ATOM 204 C THR A 14 10.845 3.919 -3.419 1.00 0.00 C ATOM 205 O THR A 14 9.977 3.341 -2.769 1.00 0.00 O ATOM 206 CB THR A 14 10.904 5.285 -5.528 1.00 0.00 C ATOM 207 OG1 THR A 14 9.786 6.096 -5.176 1.00 0.00 O ATOM 208 CG2 THR A 14 10.992 5.170 -7.064 1.00 0.00 C ATOM 0 H THR A 14 8.773 3.674 -4.950 1.00 0.00 H new ATOM 0 HA THR A 14 11.695 3.383 -5.347 1.00 0.00 H new ATOM 0 HB THR A 14 11.794 5.768 -5.125 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.883 6.981 -5.585 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.049 6.167 -7.501 1.00 0.00 H new ATOM 0 HG22 THR A 14 11.883 4.604 -7.336 1.00 0.00 H new ATOM 0 HG23 THR A 14 10.107 4.658 -7.442 1.00 0.00 H new ATOM 216 N ALA A 15 11.839 4.615 -2.824 1.00 0.00 N ATOM 217 CA ALA A 15 11.977 4.761 -1.393 1.00 0.00 C ATOM 218 C ALA A 15 10.907 5.669 -0.848 1.00 0.00 C ATOM 219 O ALA A 15 10.497 5.534 0.303 1.00 0.00 O ATOM 220 CB ALA A 15 13.339 5.366 -1.012 1.00 0.00 C ATOM 0 H ALA A 15 12.571 5.092 -3.351 1.00 0.00 H new ATOM 0 HA ALA A 15 11.889 3.761 -0.968 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.405 5.460 0.072 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.138 4.717 -1.369 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.440 6.351 -1.468 1.00 0.00 H new ATOM 226 N GLU A 16 10.425 6.607 -1.699 1.00 0.00 N ATOM 227 CA GLU A 16 9.428 7.593 -1.388 1.00 0.00 C ATOM 228 C GLU A 16 8.055 6.987 -1.302 1.00 0.00 C ATOM 229 O GLU A 16 7.184 7.519 -0.613 1.00 0.00 O ATOM 230 CB GLU A 16 9.384 8.685 -2.478 1.00 0.00 C ATOM 231 CG GLU A 16 10.716 9.443 -2.623 1.00 0.00 C ATOM 232 CD GLU A 16 10.586 10.505 -3.714 1.00 0.00 C ATOM 233 OE1 GLU A 16 9.761 11.442 -3.536 1.00 0.00 O ATOM 234 OE2 GLU A 16 11.309 10.393 -4.739 1.00 0.00 O ATOM 0 H GLU A 16 10.754 6.678 -2.662 1.00 0.00 H new ATOM 0 HA GLU A 16 9.704 8.019 -0.423 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.127 8.227 -3.433 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.592 9.395 -2.241 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.984 9.911 -1.676 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.517 8.747 -2.873 1.00 0.00 H new ATOM 241 N GLN A 17 7.833 5.848 -1.998 1.00 0.00 N ATOM 242 CA GLN A 17 6.559 5.177 -1.994 1.00 0.00 C ATOM 243 C GLN A 17 6.479 4.291 -0.792 1.00 0.00 C ATOM 244 O GLN A 17 5.505 4.348 -0.049 1.00 0.00 O ATOM 245 CB GLN A 17 6.315 4.315 -3.248 1.00 0.00 C ATOM 246 CG GLN A 17 6.249 5.158 -4.528 1.00 0.00 C ATOM 247 CD GLN A 17 5.674 4.322 -5.676 1.00 0.00 C ATOM 248 OE1 GLN A 17 5.380 3.132 -5.523 1.00 0.00 O ATOM 249 NE2 GLN A 17 5.485 4.992 -6.851 1.00 0.00 N ATOM 0 H GLN A 17 8.543 5.388 -2.568 1.00 0.00 H new ATOM 0 HA GLN A 17 5.796 5.955 -1.980 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.113 3.578 -3.341 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.383 3.762 -3.131 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.628 6.039 -4.362 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.245 5.515 -4.790 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.745 5.976 -6.925 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.084 4.509 -7.655 1.00 0.00 H new ATOM 258 N LEU A 18 7.530 3.464 -0.579 1.00 0.00 N ATOM 259 CA LEU A 18 7.620 2.462 0.453 1.00 0.00 C ATOM 260 C LEU A 18 7.438 3.019 1.842 1.00 0.00 C ATOM 261 O LEU A 18 6.723 2.419 2.641 1.00 0.00 O ATOM 262 CB LEU A 18 8.982 1.733 0.388 1.00 0.00 C ATOM 263 CG LEU A 18 9.151 0.848 -0.873 1.00 0.00 C ATOM 264 CD1 LEU A 18 10.618 0.435 -1.092 1.00 0.00 C ATOM 265 CD2 LEU A 18 8.230 -0.384 -0.861 1.00 0.00 C ATOM 0 H LEU A 18 8.366 3.497 -1.162 1.00 0.00 H new ATOM 0 HA LEU A 18 6.802 1.767 0.262 1.00 0.00 H new ATOM 0 HB2 LEU A 18 9.782 2.473 0.413 1.00 0.00 H new ATOM 0 HB3 LEU A 18 9.095 1.111 1.276 1.00 0.00 H new ATOM 0 HG LEU A 18 8.847 1.467 -1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.692 -0.184 -1.986 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.232 1.327 -1.216 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.970 -0.130 -0.229 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.391 -0.967 -1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.456 -0.998 0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.190 -0.060 -0.817 1.00 0.00 H new ATOM 277 N GLN A 19 8.057 4.189 2.147 1.00 0.00 N ATOM 278 CA GLN A 19 8.063 4.796 3.464 1.00 0.00 C ATOM 279 C GLN A 19 6.697 5.235 3.921 1.00 0.00 C ATOM 280 O GLN A 19 6.382 5.176 5.110 1.00 0.00 O ATOM 281 CB GLN A 19 9.056 5.983 3.557 1.00 0.00 C ATOM 282 CG GLN A 19 8.827 7.194 2.623 1.00 0.00 C ATOM 283 CD GLN A 19 7.823 8.205 3.200 1.00 0.00 C ATOM 284 OE1 GLN A 19 7.742 8.404 4.419 1.00 0.00 O ATOM 285 NE2 GLN A 19 7.053 8.870 2.284 1.00 0.00 N ATOM 0 H GLN A 19 8.572 4.733 1.454 1.00 0.00 H new ATOM 0 HA GLN A 19 8.398 4.007 4.137 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.047 6.347 4.584 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.057 5.597 3.365 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.778 7.695 2.444 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.466 6.840 1.657 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.157 8.670 1.289 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.375 9.565 2.596 1.00 0.00 H new ATOM 294 N ARG A 20 5.852 5.662 2.958 1.00 0.00 N ATOM 295 CA ARG A 20 4.488 6.090 3.173 1.00 0.00 C ATOM 296 C ARG A 20 3.639 4.914 3.585 1.00 0.00 C ATOM 297 O ARG A 20 2.841 5.016 4.512 1.00 0.00 O ATOM 298 CB ARG A 20 3.863 6.708 1.897 1.00 0.00 C ATOM 299 CG ARG A 20 2.458 7.302 2.098 1.00 0.00 C ATOM 300 CD ARG A 20 1.778 7.664 0.771 1.00 0.00 C ATOM 301 NE ARG A 20 0.373 8.108 1.053 1.00 0.00 N ATOM 302 CZ ARG A 20 -0.612 8.102 0.103 1.00 0.00 C ATOM 303 NH1 ARG A 20 -0.356 7.705 -1.176 1.00 0.00 N ATOM 304 NH2 ARG A 20 -1.874 8.500 0.443 1.00 0.00 N ATOM 0 H ARG A 20 6.130 5.713 1.978 1.00 0.00 H new ATOM 0 HA ARG A 20 4.514 6.848 3.956 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.525 7.491 1.526 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.812 5.941 1.124 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.838 6.586 2.637 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.530 8.194 2.721 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.331 8.457 0.268 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.775 6.804 0.102 1.00 0.00 H new ATOM 0 HE ARG A 20 0.142 8.428 1.993 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.583 7.406 -1.439 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.103 7.707 -1.870 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.075 8.798 1.398 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.615 8.499 -0.258 1.00 0.00 H new ATOM 318 N LEU A 21 3.815 3.765 2.896 1.00 0.00 N ATOM 319 CA LEU A 21 3.027 2.564 3.060 1.00 0.00 C ATOM 320 C LEU A 21 3.328 1.865 4.357 1.00 0.00 C ATOM 321 O LEU A 21 2.487 1.129 4.865 1.00 0.00 O ATOM 322 CB LEU A 21 3.312 1.552 1.928 1.00 0.00 C ATOM 323 CG LEU A 21 3.057 2.128 0.521 1.00 0.00 C ATOM 324 CD1 LEU A 21 3.704 1.278 -0.583 1.00 0.00 C ATOM 325 CD2 LEU A 21 1.559 2.351 0.239 1.00 0.00 C ATOM 0 H LEU A 21 4.542 3.664 2.188 1.00 0.00 H new ATOM 0 HA LEU A 21 1.986 2.888 3.042 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.349 1.222 1.996 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.687 0.670 2.072 1.00 0.00 H new ATOM 0 HG LEU A 21 3.539 3.105 0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.496 1.725 -1.555 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.782 1.237 -0.426 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.294 0.269 -0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.434 2.758 -0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.029 1.401 0.314 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.152 3.052 0.968 1.00 0.00 H new ATOM 337 N LYS A 22 4.540 2.093 4.913 1.00 0.00 N ATOM 338 CA LYS A 22 5.010 1.528 6.156 1.00 0.00 C ATOM 339 C LYS A 22 4.470 2.313 7.322 1.00 0.00 C ATOM 340 O LYS A 22 4.373 1.791 8.431 1.00 0.00 O ATOM 341 CB LYS A 22 6.551 1.553 6.214 1.00 0.00 C ATOM 342 CG LYS A 22 7.186 0.481 5.313 1.00 0.00 C ATOM 343 CD LYS A 22 8.611 0.837 4.866 1.00 0.00 C ATOM 344 CE LYS A 22 9.409 -0.349 4.303 1.00 0.00 C ATOM 345 NZ LYS A 22 8.768 -0.921 3.097 1.00 0.00 N ATOM 0 H LYS A 22 5.230 2.703 4.474 1.00 0.00 H new ATOM 0 HA LYS A 22 4.660 0.497 6.210 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.908 2.537 5.911 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.876 1.399 7.243 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.206 -0.469 5.847 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.560 0.338 4.432 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.557 1.617 4.107 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.152 1.255 5.715 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.420 -0.023 4.057 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.500 -1.121 5.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.380 -1.859 3.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.000 -0.295 2.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.474 -1.011 2.338 1.00 0.00 H new ATOM 359 N ALA A 23 4.079 3.588 7.087 1.00 0.00 N ATOM 360 CA ALA A 23 3.445 4.424 8.080 1.00 0.00 C ATOM 361 C ALA A 23 1.981 4.080 8.158 1.00 0.00 C ATOM 362 O ALA A 23 1.393 4.096 9.238 1.00 0.00 O ATOM 363 CB ALA A 23 3.564 5.922 7.754 1.00 0.00 C ATOM 0 H ALA A 23 4.206 4.050 6.187 1.00 0.00 H new ATOM 0 HA ALA A 23 3.954 4.238 9.026 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.071 6.504 8.532 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.617 6.201 7.704 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.089 6.124 6.794 1.00 0.00 H new ATOM 369 N GLU A 24 1.374 3.735 6.995 1.00 0.00 N ATOM 370 CA GLU A 24 -0.012 3.351 6.879 1.00 0.00 C ATOM 371 C GLU A 24 -0.227 1.987 7.468 1.00 0.00 C ATOM 372 O GLU A 24 -1.274 1.747 8.059 1.00 0.00 O ATOM 373 CB GLU A 24 -0.505 3.293 5.415 1.00 0.00 C ATOM 374 CG GLU A 24 -0.553 4.671 4.733 1.00 0.00 C ATOM 375 CD GLU A 24 -0.943 4.480 3.271 1.00 0.00 C ATOM 376 OE1 GLU A 24 -2.024 3.882 3.026 1.00 0.00 O ATOM 377 OE2 GLU A 24 -0.167 4.917 2.380 1.00 0.00 O ATOM 0 H GLU A 24 1.867 3.723 6.102 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.574 4.117 7.413 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.151 2.636 4.844 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.500 2.849 5.392 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.274 5.316 5.235 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.418 5.162 4.804 1.00 0.00 H new ATOM 384 N PHE A 25 0.780 1.082 7.337 1.00 0.00 N ATOM 385 CA PHE A 25 0.798 -0.306 7.760 1.00 0.00 C ATOM 386 C PHE A 25 0.339 -0.518 9.187 1.00 0.00 C ATOM 387 O PHE A 25 -0.254 -1.550 9.496 1.00 0.00 O ATOM 388 CB PHE A 25 2.235 -0.876 7.574 1.00 0.00 C ATOM 389 CG PHE A 25 2.392 -2.341 7.897 1.00 0.00 C ATOM 390 CD1 PHE A 25 1.694 -3.313 7.168 1.00 0.00 C ATOM 391 CD2 PHE A 25 3.268 -2.752 8.919 1.00 0.00 C ATOM 392 CE1 PHE A 25 1.851 -4.671 7.462 1.00 0.00 C ATOM 393 CE2 PHE A 25 3.430 -4.112 9.210 1.00 0.00 C ATOM 394 CZ PHE A 25 2.713 -5.071 8.490 1.00 0.00 C ATOM 0 H PHE A 25 1.661 1.346 6.895 1.00 0.00 H new ATOM 0 HA PHE A 25 0.082 -0.837 7.133 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.542 -0.713 6.541 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.919 -0.306 8.203 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.029 -3.011 6.372 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.819 -2.014 9.483 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.307 -5.412 6.895 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.109 -4.420 9.991 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.824 -6.119 8.726 1.00 0.00 H new ATOM 404 N GLN A 26 0.593 0.470 10.080 1.00 0.00 N ATOM 405 CA GLN A 26 0.232 0.417 11.472 1.00 0.00 C ATOM 406 C GLN A 26 -1.264 0.411 11.664 1.00 0.00 C ATOM 407 O GLN A 26 -1.808 -0.535 12.234 1.00 0.00 O ATOM 408 CB GLN A 26 0.860 1.603 12.246 1.00 0.00 C ATOM 409 CG GLN A 26 0.611 1.607 13.767 1.00 0.00 C ATOM 410 CD GLN A 26 1.207 0.344 14.403 1.00 0.00 C ATOM 411 OE1 GLN A 26 2.424 0.132 14.353 1.00 0.00 O ATOM 412 NE2 GLN A 26 0.321 -0.504 15.010 1.00 0.00 N ATOM 0 H GLN A 26 1.067 1.336 9.821 1.00 0.00 H new ATOM 0 HA GLN A 26 0.625 -0.518 11.871 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.936 1.600 12.071 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.472 2.533 11.829 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.059 2.495 14.214 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -0.459 1.654 13.968 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.674 -0.279 15.022 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.655 -1.361 15.451 1.00 0.00 H new ATOM 421 N THR A 27 -1.958 1.466 11.184 1.00 0.00 N ATOM 422 CA THR A 27 -3.374 1.652 11.402 1.00 0.00 C ATOM 423 C THR A 27 -4.135 0.875 10.364 1.00 0.00 C ATOM 424 O THR A 27 -4.846 -0.080 10.673 1.00 0.00 O ATOM 425 CB THR A 27 -3.770 3.122 11.371 1.00 0.00 C ATOM 426 OG1 THR A 27 -2.997 3.846 12.319 1.00 0.00 O ATOM 427 CG2 THR A 27 -5.268 3.289 11.716 1.00 0.00 C ATOM 0 H THR A 27 -1.529 2.209 10.632 1.00 0.00 H new ATOM 0 HA THR A 27 -3.621 1.283 12.397 1.00 0.00 H new ATOM 0 HB THR A 27 -3.588 3.506 10.367 1.00 0.00 H new ATOM 0 HG1 THR A 27 -3.253 4.792 12.296 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.532 4.346 11.689 1.00 0.00 H new ATOM 0 HG22 THR A 27 -5.872 2.745 10.989 1.00 0.00 H new ATOM 0 HG23 THR A 27 -5.458 2.893 12.714 1.00 0.00 H new ATOM 435 N ASN A 28 -3.987 1.306 9.100 1.00 0.00 N ATOM 436 CA ASN A 28 -4.737 0.862 7.965 1.00 0.00 C ATOM 437 C ASN A 28 -3.853 -0.034 7.156 1.00 0.00 C ATOM 438 O ASN A 28 -3.041 0.416 6.348 1.00 0.00 O ATOM 439 CB ASN A 28 -5.131 2.058 7.078 1.00 0.00 C ATOM 440 CG ASN A 28 -6.181 2.915 7.797 1.00 0.00 C ATOM 441 OD1 ASN A 28 -7.299 2.453 8.051 1.00 0.00 O ATOM 442 ND2 ASN A 28 -5.801 4.189 8.126 1.00 0.00 N ATOM 0 H ASN A 28 -3.295 2.014 8.854 1.00 0.00 H new ATOM 0 HA ASN A 28 -5.638 0.350 8.304 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -4.251 2.660 6.851 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -5.528 1.702 6.127 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -6.455 4.808 8.605 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -4.864 4.518 7.892 1.00 0.00 H new ATOM 449 N ARG A 29 -4.008 -1.353 7.370 1.00 0.00 N ATOM 450 CA ARG A 29 -3.218 -2.369 6.733 1.00 0.00 C ATOM 451 C ARG A 29 -3.948 -2.783 5.495 1.00 0.00 C ATOM 452 O ARG A 29 -3.549 -2.447 4.383 1.00 0.00 O ATOM 453 CB ARG A 29 -3.056 -3.579 7.667 1.00 0.00 C ATOM 454 CG ARG A 29 -2.037 -4.619 7.176 1.00 0.00 C ATOM 455 CD ARG A 29 -1.610 -5.619 8.261 1.00 0.00 C ATOM 456 NE ARG A 29 -0.912 -4.863 9.356 1.00 0.00 N ATOM 457 CZ ARG A 29 -0.273 -5.477 10.397 1.00 0.00 C ATOM 458 NH1 ARG A 29 -0.252 -6.836 10.509 1.00 0.00 N ATOM 459 NH2 ARG A 29 0.360 -4.711 11.335 1.00 0.00 N ATOM 0 H ARG A 29 -4.708 -1.729 8.009 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.224 -1.989 6.495 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.752 -3.226 8.652 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.025 -4.064 7.787 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.465 -5.167 6.336 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.153 -4.102 6.802 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.480 -6.143 8.657 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.947 -6.375 7.840 1.00 0.00 H new ATOM 0 HE ARG A 29 -0.915 -3.844 9.321 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.718 -7.413 9.809 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.230 -7.276 11.293 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.352 -3.694 11.253 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.841 -5.156 12.117 1.00 0.00 H new ATOM 473 N TYR A 30 -5.076 -3.505 5.680 1.00 0.00 N ATOM 474 CA TYR A 30 -5.979 -3.874 4.641 1.00 0.00 C ATOM 475 C TYR A 30 -7.000 -2.783 4.596 1.00 0.00 C ATOM 476 O TYR A 30 -8.079 -2.873 5.180 1.00 0.00 O ATOM 477 CB TYR A 30 -6.671 -5.221 4.925 1.00 0.00 C ATOM 478 CG TYR A 30 -5.698 -6.349 4.718 1.00 0.00 C ATOM 479 CD1 TYR A 30 -5.227 -6.650 3.428 1.00 0.00 C ATOM 480 CD2 TYR A 30 -5.259 -7.131 5.800 1.00 0.00 C ATOM 481 CE1 TYR A 30 -4.345 -7.717 3.218 1.00 0.00 C ATOM 482 CE2 TYR A 30 -4.381 -8.203 5.594 1.00 0.00 C ATOM 483 CZ TYR A 30 -3.929 -8.502 4.302 1.00 0.00 C ATOM 484 OH TYR A 30 -3.073 -9.603 4.089 1.00 0.00 O ATOM 0 H TYR A 30 -5.365 -3.843 6.598 1.00 0.00 H new ATOM 0 HA TYR A 30 -5.447 -3.996 3.698 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -7.048 -5.238 5.947 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -7.530 -5.345 4.266 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -5.549 -6.051 2.589 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -5.601 -6.904 6.799 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.986 -7.935 2.223 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.052 -8.800 6.432 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.881 -10.039 4.946 1.00 0.00 H new ATOM 494 N LEU A 31 -6.631 -1.720 3.848 1.00 0.00 N ATOM 495 CA LEU A 31 -7.460 -0.605 3.438 1.00 0.00 C ATOM 496 C LEU A 31 -8.651 -1.083 2.630 1.00 0.00 C ATOM 497 O LEU A 31 -8.830 -2.266 2.343 1.00 0.00 O ATOM 498 CB LEU A 31 -6.760 0.534 2.608 1.00 0.00 C ATOM 499 CG LEU A 31 -5.274 0.423 2.175 1.00 0.00 C ATOM 500 CD1 LEU A 31 -4.269 0.738 3.292 1.00 0.00 C ATOM 501 CD2 LEU A 31 -4.932 -0.859 1.392 1.00 0.00 C ATOM 0 H LEU A 31 -5.677 -1.629 3.499 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.745 -0.162 4.392 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.346 0.670 1.699 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.854 1.452 3.188 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.156 1.230 1.451 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.254 0.638 2.907 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.424 1.758 3.644 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.414 0.043 4.119 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.874 -0.854 1.130 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.148 -1.731 2.009 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.531 -0.901 0.482 1.00 0.00 H new ATOM 513 N THR A 32 -9.499 -0.111 2.233 1.00 0.00 N ATOM 514 CA THR A 32 -10.703 -0.320 1.470 1.00 0.00 C ATOM 515 C THR A 32 -10.321 -0.409 0.024 1.00 0.00 C ATOM 516 O THR A 32 -9.162 -0.224 -0.337 1.00 0.00 O ATOM 517 CB THR A 32 -11.772 0.740 1.718 1.00 0.00 C ATOM 518 OG1 THR A 32 -11.386 2.039 1.286 1.00 0.00 O ATOM 519 CG2 THR A 32 -12.064 0.797 3.229 1.00 0.00 C ATOM 0 H THR A 32 -9.339 0.872 2.454 1.00 0.00 H new ATOM 0 HA THR A 32 -11.168 -1.251 1.795 1.00 0.00 H new ATOM 0 HB THR A 32 -12.650 0.453 1.140 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.110 2.673 1.469 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.827 1.551 3.424 1.00 0.00 H new ATOM 0 HG22 THR A 32 -12.420 -0.176 3.568 1.00 0.00 H new ATOM 0 HG23 THR A 32 -11.152 1.057 3.766 1.00 0.00 H new ATOM 527 N GLU A 33 -11.308 -0.700 -0.844 1.00 0.00 N ATOM 528 CA GLU A 33 -11.122 -0.760 -2.273 1.00 0.00 C ATOM 529 C GLU A 33 -10.977 0.625 -2.845 1.00 0.00 C ATOM 530 O GLU A 33 -10.505 0.775 -3.967 1.00 0.00 O ATOM 531 CB GLU A 33 -12.300 -1.458 -2.989 1.00 0.00 C ATOM 532 CG GLU A 33 -12.473 -2.924 -2.550 1.00 0.00 C ATOM 533 CD GLU A 33 -13.628 -3.561 -3.321 1.00 0.00 C ATOM 534 OE1 GLU A 33 -13.518 -3.666 -4.573 1.00 0.00 O ATOM 535 OE2 GLU A 33 -14.631 -3.956 -2.670 1.00 0.00 O ATOM 0 H GLU A 33 -12.264 -0.900 -0.550 1.00 0.00 H new ATOM 0 HA GLU A 33 -10.215 -1.341 -2.441 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -13.220 -0.910 -2.786 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -12.139 -1.422 -4.066 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.552 -3.479 -2.731 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.668 -2.972 -1.479 1.00 0.00 H new ATOM 542 N GLN A 34 -11.400 1.660 -2.080 1.00 0.00 N ATOM 543 CA GLN A 34 -11.406 3.038 -2.500 1.00 0.00 C ATOM 544 C GLN A 34 -10.152 3.746 -2.056 1.00 0.00 C ATOM 545 O GLN A 34 -9.633 4.613 -2.756 1.00 0.00 O ATOM 546 CB GLN A 34 -12.640 3.768 -1.921 1.00 0.00 C ATOM 547 CG GLN A 34 -12.822 5.225 -2.383 1.00 0.00 C ATOM 548 CD GLN A 34 -12.976 5.283 -3.909 1.00 0.00 C ATOM 549 OE1 GLN A 34 -13.948 4.753 -4.459 1.00 0.00 O ATOM 550 NE2 GLN A 34 -11.993 5.942 -4.596 1.00 0.00 N ATOM 0 H GLN A 34 -11.752 1.531 -1.131 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.449 3.055 -3.589 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.534 3.205 -2.190 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -12.571 3.755 -0.833 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -13.700 5.658 -1.905 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -11.964 5.822 -2.074 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -11.212 6.362 -4.092 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -12.041 6.014 -5.612 1.00 0.00 H new ATOM 559 N ARG A 35 -9.641 3.398 -0.858 1.00 0.00 N ATOM 560 CA ARG A 35 -8.516 4.054 -0.237 1.00 0.00 C ATOM 561 C ARG A 35 -7.243 3.480 -0.762 1.00 0.00 C ATOM 562 O ARG A 35 -6.255 4.191 -0.911 1.00 0.00 O ATOM 563 CB ARG A 35 -8.517 3.806 1.275 1.00 0.00 C ATOM 564 CG ARG A 35 -7.424 4.533 2.067 1.00 0.00 C ATOM 565 CD ARG A 35 -7.586 4.323 3.580 1.00 0.00 C ATOM 566 NE ARG A 35 -6.242 4.067 4.183 1.00 0.00 N ATOM 567 CZ ARG A 35 -5.384 5.056 4.583 1.00 0.00 C ATOM 568 NH1 ARG A 35 -5.728 6.373 4.506 1.00 0.00 N ATOM 569 NH2 ARG A 35 -4.155 4.717 5.071 1.00 0.00 N ATOM 0 H ARG A 35 -10.021 2.634 -0.298 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.594 5.119 -0.455 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -9.487 4.103 1.673 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.415 2.735 1.449 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.445 4.172 1.752 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -7.459 5.599 1.841 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.042 5.202 4.035 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -8.252 3.482 3.774 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.947 3.098 4.303 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -6.643 6.641 4.144 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.070 7.091 4.811 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.884 3.736 5.135 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.507 5.445 5.372 1.00 0.00 H new ATOM 583 N ARG A 36 -7.260 2.162 -1.071 1.00 0.00 N ATOM 584 CA ARG A 36 -6.165 1.453 -1.698 1.00 0.00 C ATOM 585 C ARG A 36 -5.936 2.016 -3.075 1.00 0.00 C ATOM 586 O ARG A 36 -4.804 2.195 -3.519 1.00 0.00 O ATOM 587 CB ARG A 36 -6.480 -0.043 -1.882 1.00 0.00 C ATOM 588 CG ARG A 36 -5.321 -0.855 -2.476 1.00 0.00 C ATOM 589 CD ARG A 36 -5.573 -2.366 -2.475 1.00 0.00 C ATOM 590 NE ARG A 36 -6.797 -2.647 -3.293 1.00 0.00 N ATOM 591 CZ ARG A 36 -7.289 -3.910 -3.477 1.00 0.00 C ATOM 592 NH1 ARG A 36 -6.681 -4.991 -2.907 1.00 0.00 N ATOM 593 NH2 ARG A 36 -8.406 -4.088 -4.242 1.00 0.00 N ATOM 0 H ARG A 36 -8.064 1.565 -0.879 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.295 1.569 -1.052 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.751 -0.469 -0.916 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.351 -0.144 -2.530 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.143 -0.525 -3.499 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.413 -0.645 -1.911 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.713 -2.893 -2.888 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.709 -2.726 -1.455 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.283 -1.864 -3.730 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.847 -4.864 -2.334 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.061 -5.926 -3.054 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.865 -3.284 -4.670 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.782 -5.025 -4.386 1.00 0.00 H new ATOM 607 N GLN A 37 -7.061 2.340 -3.753 1.00 0.00 N ATOM 608 CA GLN A 37 -7.124 2.962 -5.042 1.00 0.00 C ATOM 609 C GLN A 37 -6.600 4.367 -5.008 1.00 0.00 C ATOM 610 O GLN A 37 -6.138 4.887 -6.016 1.00 0.00 O ATOM 611 CB GLN A 37 -8.586 3.033 -5.517 1.00 0.00 C ATOM 612 CG GLN A 37 -8.695 3.218 -7.027 1.00 0.00 C ATOM 613 CD GLN A 37 -10.161 3.186 -7.468 1.00 0.00 C ATOM 614 OE1 GLN A 37 -10.697 4.204 -7.925 1.00 0.00 O ATOM 615 NE2 GLN A 37 -10.816 1.994 -7.319 1.00 0.00 N ATOM 0 H GLN A 37 -7.988 2.152 -3.370 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.513 2.360 -5.715 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -9.105 2.120 -5.227 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -9.089 3.859 -5.015 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.243 4.167 -7.316 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.139 2.431 -7.537 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -10.324 1.186 -6.936 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -11.796 1.913 -7.591 1.00 0.00 H new ATOM 624 N SER A 38 -6.659 5.017 -3.828 1.00 0.00 N ATOM 625 CA SER A 38 -6.211 6.381 -3.670 1.00 0.00 C ATOM 626 C SER A 38 -4.715 6.432 -3.519 1.00 0.00 C ATOM 627 O SER A 38 -4.096 7.415 -3.913 1.00 0.00 O ATOM 628 CB SER A 38 -6.840 7.048 -2.437 1.00 0.00 C ATOM 629 OG SER A 38 -6.691 8.464 -2.446 1.00 0.00 O ATOM 0 H SER A 38 -7.020 4.597 -2.971 1.00 0.00 H new ATOM 0 HA SER A 38 -6.521 6.919 -4.566 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.900 6.798 -2.394 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.380 6.643 -1.535 1.00 0.00 H new ATOM 0 HG SER A 38 -7.108 8.842 -1.644 1.00 0.00 H new ATOM 635 N LEU A 39 -4.086 5.363 -2.968 1.00 0.00 N ATOM 636 CA LEU A 39 -2.642 5.280 -2.849 1.00 0.00 C ATOM 637 C LEU A 39 -2.084 5.021 -4.224 1.00 0.00 C ATOM 638 O LEU A 39 -0.973 5.427 -4.556 1.00 0.00 O ATOM 639 CB LEU A 39 -2.128 4.144 -1.923 1.00 0.00 C ATOM 640 CG LEU A 39 -2.991 3.830 -0.679 1.00 0.00 C ATOM 641 CD1 LEU A 39 -2.398 2.647 0.107 1.00 0.00 C ATOM 642 CD2 LEU A 39 -3.257 5.036 0.240 1.00 0.00 C ATOM 0 H LEU A 39 -4.579 4.549 -2.601 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.316 6.221 -2.406 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.039 3.234 -2.516 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.125 4.405 -1.586 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.972 3.553 -1.065 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.019 2.441 0.979 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.366 1.765 -0.532 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.388 2.896 0.432 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.869 4.721 1.085 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.309 5.431 0.606 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.781 5.811 -0.319 1.00 0.00 H new ATOM 654 N ALA A 40 -2.905 4.332 -5.051 1.00 0.00 N ATOM 655 CA ALA A 40 -2.640 4.020 -6.427 1.00 0.00 C ATOM 656 C ALA A 40 -2.785 5.227 -7.311 1.00 0.00 C ATOM 657 O ALA A 40 -2.176 5.283 -8.376 1.00 0.00 O ATOM 658 CB ALA A 40 -3.580 2.924 -6.951 1.00 0.00 C ATOM 0 H ALA A 40 -3.807 3.973 -4.737 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.610 3.666 -6.461 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.349 2.715 -7.996 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.446 2.017 -6.361 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.613 3.261 -6.868 1.00 0.00 H new ATOM 664 N GLN A 41 -3.589 6.238 -6.896 1.00 0.00 N ATOM 665 CA GLN A 41 -3.748 7.446 -7.675 1.00 0.00 C ATOM 666 C GLN A 41 -2.571 8.358 -7.450 1.00 0.00 C ATOM 667 O GLN A 41 -2.190 9.108 -8.347 1.00 0.00 O ATOM 668 CB GLN A 41 -5.038 8.216 -7.306 1.00 0.00 C ATOM 669 CG GLN A 41 -6.296 7.592 -7.938 1.00 0.00 C ATOM 670 CD GLN A 41 -7.550 8.207 -7.306 1.00 0.00 C ATOM 671 OE1 GLN A 41 -7.754 9.425 -7.374 1.00 0.00 O ATOM 672 NE2 GLN A 41 -8.402 7.337 -6.680 1.00 0.00 N ATOM 0 H GLN A 41 -4.125 6.221 -6.029 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.813 7.144 -8.720 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.150 8.233 -6.222 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.946 9.252 -7.633 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.298 7.764 -9.014 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.293 6.512 -7.788 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.185 6.341 -6.654 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.254 7.685 -6.240 1.00 0.00 H new ATOM 681 N GLU A 42 -1.985 8.321 -6.229 1.00 0.00 N ATOM 682 CA GLU A 42 -1.067 9.344 -5.777 1.00 0.00 C ATOM 683 C GLU A 42 0.350 9.012 -6.069 1.00 0.00 C ATOM 684 O GLU A 42 1.036 9.759 -6.766 1.00 0.00 O ATOM 685 CB GLU A 42 -1.204 9.645 -4.269 1.00 0.00 C ATOM 686 CG GLU A 42 -2.574 10.251 -3.934 1.00 0.00 C ATOM 687 CD GLU A 42 -2.691 11.667 -4.497 1.00 0.00 C ATOM 688 OE1 GLU A 42 -1.917 12.552 -4.045 1.00 0.00 O ATOM 689 OE2 GLU A 42 -3.559 11.882 -5.385 1.00 0.00 O ATOM 0 H GLU A 42 -2.147 7.578 -5.549 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.347 10.233 -6.342 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.064 8.726 -3.700 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.417 10.333 -3.962 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.365 9.624 -4.346 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.714 10.271 -2.853 1.00 0.00 H new ATOM 696 N LEU A 43 0.817 7.860 -5.545 1.00 0.00 N ATOM 697 CA LEU A 43 2.148 7.351 -5.761 1.00 0.00 C ATOM 698 C LEU A 43 2.273 6.939 -7.196 1.00 0.00 C ATOM 699 O LEU A 43 3.335 7.051 -7.807 1.00 0.00 O ATOM 700 CB LEU A 43 2.413 6.105 -4.894 1.00 0.00 C ATOM 701 CG LEU A 43 2.220 6.355 -3.384 1.00 0.00 C ATOM 702 CD1 LEU A 43 2.349 5.043 -2.599 1.00 0.00 C ATOM 703 CD2 LEU A 43 3.185 7.413 -2.819 1.00 0.00 C ATOM 0 H LEU A 43 0.249 7.258 -4.948 1.00 0.00 H new ATOM 0 HA LEU A 43 2.862 8.132 -5.499 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.745 5.303 -5.210 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.432 5.759 -5.070 1.00 0.00 H new ATOM 0 HG LEU A 43 1.212 6.753 -3.263 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.210 5.240 -1.536 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.590 4.339 -2.940 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.339 4.617 -2.763 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.999 7.543 -1.753 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.213 7.085 -2.970 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.027 8.361 -3.333 1.00 0.00 H new ATOM 715 N GLY A 44 1.133 6.481 -7.754 1.00 0.00 N ATOM 716 CA GLY A 44 1.027 6.098 -9.138 1.00 0.00 C ATOM 717 C GLY A 44 1.232 4.623 -9.212 1.00 0.00 C ATOM 718 O GLY A 44 1.897 4.116 -10.113 1.00 0.00 O ATOM 0 H GLY A 44 0.263 6.373 -7.233 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.050 6.370 -9.537 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.773 6.619 -9.738 1.00 0.00 H new ATOM 722 N LEU A 45 0.635 3.907 -8.234 1.00 0.00 N ATOM 723 CA LEU A 45 0.671 2.458 -8.174 1.00 0.00 C ATOM 724 C LEU A 45 -0.566 1.938 -8.861 1.00 0.00 C ATOM 725 O LEU A 45 -1.297 2.686 -9.506 1.00 0.00 O ATOM 726 CB LEU A 45 0.737 1.921 -6.719 1.00 0.00 C ATOM 727 CG LEU A 45 2.120 2.089 -6.063 1.00 0.00 C ATOM 728 CD1 LEU A 45 2.006 2.082 -4.531 1.00 0.00 C ATOM 729 CD2 LEU A 45 3.073 0.979 -6.535 1.00 0.00 C ATOM 0 H LEU A 45 0.116 4.335 -7.467 1.00 0.00 H new ATOM 0 HA LEU A 45 1.577 2.111 -8.671 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.008 2.439 -6.115 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.469 0.864 -6.718 1.00 0.00 H new ATOM 0 HG LEU A 45 2.527 3.053 -6.368 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.996 2.202 -4.092 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.365 2.903 -4.210 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.576 1.136 -4.202 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.047 1.111 -6.063 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.664 0.007 -6.259 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.185 1.031 -7.618 1.00 0.00 H new ATOM 741 N ASN A 46 -0.809 0.616 -8.738 1.00 0.00 N ATOM 742 CA ASN A 46 -2.045 -0.020 -9.112 1.00 0.00 C ATOM 743 C ASN A 46 -2.554 -0.604 -7.829 1.00 0.00 C ATOM 744 O ASN A 46 -1.839 -0.645 -6.831 1.00 0.00 O ATOM 745 CB ASN A 46 -1.881 -1.168 -10.137 1.00 0.00 C ATOM 746 CG ASN A 46 -1.307 -0.601 -11.443 1.00 0.00 C ATOM 747 OD1 ASN A 46 -1.913 0.282 -12.062 1.00 0.00 O ATOM 748 ND2 ASN A 46 -0.116 -1.126 -11.862 1.00 0.00 N ATOM 0 H ASN A 46 -0.120 -0.036 -8.364 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.703 0.706 -9.590 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -1.218 -1.936 -9.738 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -2.843 -1.644 -10.325 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.314 -0.790 -12.724 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.342 -1.853 -11.313 1.00 0.00 H new ATOM 755 N GLU A 47 -3.817 -1.084 -7.829 1.00 0.00 N ATOM 756 CA GLU A 47 -4.437 -1.723 -6.688 1.00 0.00 C ATOM 757 C GLU A 47 -3.846 -3.082 -6.471 1.00 0.00 C ATOM 758 O GLU A 47 -3.754 -3.566 -5.346 1.00 0.00 O ATOM 759 CB GLU A 47 -5.953 -1.916 -6.885 1.00 0.00 C ATOM 760 CG GLU A 47 -6.621 -0.596 -7.285 1.00 0.00 C ATOM 761 CD GLU A 47 -8.101 -0.623 -6.922 1.00 0.00 C ATOM 762 OE1 GLU A 47 -8.412 -0.683 -5.702 1.00 0.00 O ATOM 763 OE2 GLU A 47 -8.944 -0.580 -7.858 1.00 0.00 O ATOM 0 H GLU A 47 -4.429 -1.029 -8.643 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.259 -1.069 -5.834 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.132 -2.667 -7.654 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.399 -2.290 -5.964 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.130 0.236 -6.780 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.505 -0.431 -8.356 1.00 0.00 H new ATOM 770 N SER A 48 -3.431 -3.694 -7.596 1.00 0.00 N ATOM 771 CA SER A 48 -2.845 -5.008 -7.699 1.00 0.00 C ATOM 772 C SER A 48 -1.498 -5.069 -7.014 1.00 0.00 C ATOM 773 O SER A 48 -1.184 -6.063 -6.363 1.00 0.00 O ATOM 774 CB SER A 48 -2.687 -5.424 -9.184 1.00 0.00 C ATOM 775 OG SER A 48 -2.331 -6.796 -9.328 1.00 0.00 O ATOM 0 H SER A 48 -3.509 -3.239 -8.506 1.00 0.00 H new ATOM 0 HA SER A 48 -3.521 -5.702 -7.199 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.622 -5.236 -9.713 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.925 -4.802 -9.654 1.00 0.00 H new ATOM 0 HG SER A 48 -2.244 -7.013 -10.280 1.00 0.00 H new ATOM 781 N GLN A 49 -0.674 -4.000 -7.137 1.00 0.00 N ATOM 782 CA GLN A 49 0.654 -3.934 -6.580 1.00 0.00 C ATOM 783 C GLN A 49 0.623 -3.783 -5.084 1.00 0.00 C ATOM 784 O GLN A 49 1.512 -4.268 -4.388 1.00 0.00 O ATOM 785 CB GLN A 49 1.433 -2.722 -7.132 1.00 0.00 C ATOM 786 CG GLN A 49 1.709 -2.815 -8.639 1.00 0.00 C ATOM 787 CD GLN A 49 2.594 -1.633 -9.047 1.00 0.00 C ATOM 788 OE1 GLN A 49 2.098 -0.615 -9.546 1.00 0.00 O ATOM 789 NE2 GLN A 49 3.932 -1.781 -8.809 1.00 0.00 N ATOM 0 H GLN A 49 -0.941 -3.154 -7.641 1.00 0.00 H new ATOM 0 HA GLN A 49 1.140 -4.869 -6.859 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.868 -1.812 -6.928 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.381 -2.635 -6.600 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.203 -3.757 -8.876 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.773 -2.797 -9.197 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.284 -2.644 -8.395 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.578 -1.028 -9.046 1.00 0.00 H new ATOM 798 N ILE A 50 -0.415 -3.089 -4.566 1.00 0.00 N ATOM 799 CA ILE A 50 -0.553 -2.753 -3.170 1.00 0.00 C ATOM 800 C ILE A 50 -1.167 -3.922 -2.437 1.00 0.00 C ATOM 801 O ILE A 50 -0.891 -4.139 -1.258 1.00 0.00 O ATOM 802 CB ILE A 50 -1.403 -1.510 -2.983 1.00 0.00 C ATOM 803 CG1 ILE A 50 -0.811 -0.304 -3.741 1.00 0.00 C ATOM 804 CG2 ILE A 50 -1.502 -1.175 -1.484 1.00 0.00 C ATOM 805 CD1 ILE A 50 -1.835 0.823 -3.885 1.00 0.00 C ATOM 0 H ILE A 50 -1.188 -2.748 -5.138 1.00 0.00 H new ATOM 0 HA ILE A 50 0.435 -2.540 -2.762 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.394 -1.713 -3.388 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.067 0.066 -3.211 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.476 -0.622 -4.728 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.113 -0.282 -1.350 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.960 -2.010 -0.954 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.504 -0.995 -1.085 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.385 1.657 -4.424 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.701 0.459 -4.438 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.150 1.157 -2.896 1.00 0.00 H new ATOM 817 N LYS A 51 -1.989 -4.735 -3.144 1.00 0.00 N ATOM 818 CA LYS A 51 -2.614 -5.943 -2.645 1.00 0.00 C ATOM 819 C LYS A 51 -1.559 -6.919 -2.215 1.00 0.00 C ATOM 820 O LYS A 51 -1.592 -7.456 -1.112 1.00 0.00 O ATOM 821 CB LYS A 51 -3.442 -6.622 -3.759 1.00 0.00 C ATOM 822 CG LYS A 51 -4.328 -7.783 -3.284 1.00 0.00 C ATOM 823 CD LYS A 51 -5.240 -8.311 -4.405 1.00 0.00 C ATOM 824 CE LYS A 51 -6.142 -9.479 -3.980 1.00 0.00 C ATOM 825 NZ LYS A 51 -5.346 -10.684 -3.652 1.00 0.00 N ATOM 0 H LYS A 51 -2.232 -4.542 -4.116 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.257 -5.668 -1.809 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.074 -5.871 -4.232 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.760 -6.993 -4.525 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.698 -8.593 -2.918 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.940 -7.452 -2.445 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.866 -7.494 -4.765 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.620 -8.630 -5.243 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.735 -9.186 -3.114 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.842 -9.711 -4.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.810 -11.207 -2.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.276 -11.293 -4.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.392 -10.399 -3.351 1.00 0.00 H new ATOM 839 N ILE A 52 -0.569 -7.098 -3.113 1.00 0.00 N ATOM 840 CA ILE A 52 0.612 -7.897 -2.979 1.00 0.00 C ATOM 841 C ILE A 52 1.456 -7.414 -1.826 1.00 0.00 C ATOM 842 O ILE A 52 1.903 -8.220 -1.018 1.00 0.00 O ATOM 843 CB ILE A 52 1.357 -7.860 -4.308 1.00 0.00 C ATOM 844 CG1 ILE A 52 0.577 -8.708 -5.344 1.00 0.00 C ATOM 845 CG2 ILE A 52 2.819 -8.313 -4.149 1.00 0.00 C ATOM 846 CD1 ILE A 52 1.116 -8.605 -6.775 1.00 0.00 C ATOM 0 H ILE A 52 -0.603 -6.636 -4.022 1.00 0.00 H new ATOM 0 HA ILE A 52 0.356 -8.931 -2.748 1.00 0.00 H new ATOM 0 HB ILE A 52 1.407 -6.834 -4.672 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.601 -9.753 -5.033 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.468 -8.397 -5.338 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.319 -8.274 -5.117 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.331 -7.652 -3.449 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.844 -9.334 -3.769 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.514 -9.228 -7.436 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.066 -7.569 -7.109 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.151 -8.945 -6.799 1.00 0.00 H new ATOM 858 N TRP A 53 1.666 -6.084 -1.731 1.00 0.00 N ATOM 859 CA TRP A 53 2.515 -5.411 -0.762 1.00 0.00 C ATOM 860 C TRP A 53 2.120 -5.694 0.668 1.00 0.00 C ATOM 861 O TRP A 53 2.976 -5.987 1.500 1.00 0.00 O ATOM 862 CB TRP A 53 2.516 -3.868 -0.973 1.00 0.00 C ATOM 863 CG TRP A 53 3.632 -3.099 -0.283 1.00 0.00 C ATOM 864 CD1 TRP A 53 4.860 -2.779 -0.789 1.00 0.00 C ATOM 865 CD2 TRP A 53 3.607 -2.589 1.068 1.00 0.00 C ATOM 866 NE1 TRP A 53 5.603 -2.105 0.149 1.00 0.00 N ATOM 867 CE2 TRP A 53 4.858 -1.983 1.299 1.00 0.00 C ATOM 868 CE3 TRP A 53 2.634 -2.621 2.063 1.00 0.00 C ATOM 869 CZ2 TRP A 53 5.158 -1.409 2.529 1.00 0.00 C ATOM 870 CZ3 TRP A 53 2.959 -2.090 3.321 1.00 0.00 C ATOM 871 CH2 TRP A 53 4.205 -1.495 3.550 1.00 0.00 C ATOM 0 H TRP A 53 1.217 -5.427 -2.369 1.00 0.00 H new ATOM 0 HA TRP A 53 3.514 -5.813 -0.933 1.00 0.00 H new ATOM 0 HB2 TRP A 53 2.572 -3.668 -2.043 1.00 0.00 H new ATOM 0 HB3 TRP A 53 1.561 -3.474 -0.625 1.00 0.00 H new ATOM 0 HD1 TRP A 53 5.199 -3.022 -1.785 1.00 0.00 H new ATOM 0 HE1 TRP A 53 6.551 -1.753 0.015 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.658 -3.042 1.873 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 6.102 -0.910 2.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 2.238 -2.141 4.123 1.00 0.00 H new ATOM 0 HH2 TRP A 53 4.434 -1.097 4.528 1.00 0.00 H new ATOM 882 N PHE A 54 0.807 -5.611 0.982 1.00 0.00 N ATOM 883 CA PHE A 54 0.291 -5.774 2.319 1.00 0.00 C ATOM 884 C PHE A 54 0.265 -7.233 2.708 1.00 0.00 C ATOM 885 O PHE A 54 0.351 -7.551 3.892 1.00 0.00 O ATOM 886 CB PHE A 54 -1.133 -5.165 2.452 1.00 0.00 C ATOM 887 CG PHE A 54 -1.047 -3.671 2.671 1.00 0.00 C ATOM 888 CD1 PHE A 54 -0.516 -3.193 3.884 1.00 0.00 C ATOM 889 CD2 PHE A 54 -1.495 -2.731 1.720 1.00 0.00 C ATOM 890 CE1 PHE A 54 -0.422 -1.818 4.135 1.00 0.00 C ATOM 891 CE2 PHE A 54 -1.391 -1.356 1.972 1.00 0.00 C ATOM 892 CZ PHE A 54 -0.850 -0.898 3.177 1.00 0.00 C ATOM 0 H PHE A 54 0.083 -5.425 0.288 1.00 0.00 H new ATOM 0 HA PHE A 54 0.958 -5.239 2.995 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.711 -5.375 1.552 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.659 -5.632 3.285 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.177 -3.896 4.631 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.922 -3.074 0.789 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.017 -1.469 5.073 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.731 -0.647 1.232 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.764 0.162 3.365 1.00 0.00 H new ATOM 902 N GLN A 55 0.184 -8.151 1.716 1.00 0.00 N ATOM 903 CA GLN A 55 0.174 -9.579 1.917 1.00 0.00 C ATOM 904 C GLN A 55 1.572 -10.133 2.057 1.00 0.00 C ATOM 905 O GLN A 55 1.746 -11.228 2.589 1.00 0.00 O ATOM 906 CB GLN A 55 -0.522 -10.285 0.734 1.00 0.00 C ATOM 907 CG GLN A 55 -2.046 -10.065 0.753 1.00 0.00 C ATOM 908 CD GLN A 55 -2.694 -10.601 -0.528 1.00 0.00 C ATOM 909 OE1 GLN A 55 -2.018 -11.075 -1.450 1.00 0.00 O ATOM 910 NE2 GLN A 55 -4.058 -10.505 -0.573 1.00 0.00 N ATOM 0 H GLN A 55 0.123 -7.888 0.732 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.373 -9.768 2.841 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.112 -9.911 -0.204 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.308 -11.353 0.772 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.478 -10.564 1.620 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.262 -9.002 0.857 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.567 -10.106 0.215 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.565 -10.833 -1.395 1.00 0.00 H new ATOM 919 N ASN A 56 2.603 -9.380 1.601 1.00 0.00 N ATOM 920 CA ASN A 56 3.996 -9.749 1.686 1.00 0.00 C ATOM 921 C ASN A 56 4.460 -9.515 3.090 1.00 0.00 C ATOM 922 O ASN A 56 5.188 -10.330 3.650 1.00 0.00 O ATOM 923 CB ASN A 56 4.893 -8.878 0.770 1.00 0.00 C ATOM 924 CG ASN A 56 4.748 -9.279 -0.704 1.00 0.00 C ATOM 925 OD1 ASN A 56 4.161 -10.312 -1.044 1.00 0.00 O ATOM 926 ND2 ASN A 56 5.320 -8.415 -1.599 1.00 0.00 N ATOM 0 H ASN A 56 2.460 -8.475 1.154 1.00 0.00 H new ATOM 0 HA ASN A 56 4.078 -10.791 1.378 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.627 -7.828 0.890 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.934 -8.980 1.075 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.273 -8.611 -2.599 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.793 -7.575 -1.266 1.00 0.00 H new ATOM 933 N LYS A 57 4.018 -8.389 3.694 1.00 0.00 N ATOM 934 CA LYS A 57 4.301 -8.033 5.066 1.00 0.00 C ATOM 935 C LYS A 57 3.662 -8.988 6.041 1.00 0.00 C ATOM 936 O LYS A 57 4.245 -9.290 7.079 1.00 0.00 O ATOM 937 CB LYS A 57 3.842 -6.598 5.410 1.00 0.00 C ATOM 938 CG LYS A 57 4.933 -5.527 5.244 1.00 0.00 C ATOM 939 CD LYS A 57 5.477 -5.334 3.825 1.00 0.00 C ATOM 940 CE LYS A 57 6.676 -4.378 3.822 1.00 0.00 C ATOM 941 NZ LYS A 57 7.206 -4.184 2.453 1.00 0.00 N ATOM 0 H LYS A 57 3.442 -7.699 3.212 1.00 0.00 H new ATOM 0 HA LYS A 57 5.385 -8.090 5.160 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.995 -6.338 4.775 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.486 -6.580 6.440 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.534 -4.574 5.591 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.766 -5.781 5.899 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.775 -6.298 3.411 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.691 -4.940 3.181 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.378 -3.416 4.239 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.461 -4.774 4.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.193 -3.861 2.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.163 -5.084 1.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.635 -3.470 1.957 1.00 0.00 H new